N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide

C14H26N4O3S — CID 94819302

IUPACN-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCC(C)CCC[C@@H](C)NC(=O)CCn1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C14H26N4O3S/c1-11(2)5-4-6-12(3)17-14(19)7-8-18-10-13(9-16-18)22(15,20)21/h9-12H,4-8H2,1-3H3,(H,17,19)(H2,15,20,21)/t12-/m1/s1
InChIKeyVXNUYCJCVXOMAS-GFCCVEGCSA-N
MW330.45 g/mol
LogP1.25
Rot. Bonds9

About N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide

N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (PubChem CID 94819302) has the molecular formula C14H26N4O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
PubChem CID94819302
Molecular FormulaC14H26N4O3S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC NameN-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCC(C)CCC[C@@H](C)NC(=O)CCn1cc(S(N)(=O)=O)cn1
InChIInChI=1S/C14H26N4O3S/c1-11(2)5-4-6-12(3)17-14(19)7-8-18-10-13(9-16-18)22(15,20)21/h9-12H,4-8H2,1-3H3,(H,17,19)(H2,15,20,21)/t12-/m1/s1
InChIKeyVXNUYCJCVXOMAS-GFCCVEGCSA-N
XLogP1.25
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (CID 94819302) is N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is CC(C)CCC[C@@H](C)NC(=O)CCn1cc(S(N)(=O)=O)cn1.
What is the InChIKey of N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The InChIKey is VXNUYCJCVXOMAS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N4O3S/c1-11(2)5-4-6-12(3)17-14(19)7-8-18-10-13(9-16-18)22(15,20)21/h9-12H,4-8H2,1-3H3,(H,17,19)(H2,15,20,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide has a molecular weight of 330.45 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-methylheptan-2-yl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is sourced from PubChem (CID 94819302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).